1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea

C14H17N5O2S — CID 842640

IUPAC1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C14H17N5O2S/c1-9-8-11(19(2)18-9)13(20)16-17-14(22)15-10-6-4-5-7-12(10)21-3/h4-8H,1-3H3,(H,16,20)(H2,15,17,22)
InChIKeyBYWDKAUWVAWRLB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.37
Rot. Bonds3

About 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea

1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea (PubChem CID 842640) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
PubChem CID842640
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C14H17N5O2S/c1-9-8-11(19(2)18-9)13(20)16-17-14(22)15-10-6-4-5-7-12(10)21-3/h4-8H,1-3H3,(H,16,20)(H2,15,17,22)
InChIKeyBYWDKAUWVAWRLB-UHFFFAOYSA-N
XLogP1.37
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_C(9)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 842837
2-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 996712
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 996925
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 1229795
1-[[(4-Bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 2210439
1-benzyl-3-(tert-butyl)-N'-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2812502
2-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-N-(3-methoxyphenyl)hydrazinecarbothioamide
CID 4766018
1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-methoxyphenyl)thiourea
CID 4766248
2-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
CID 9549680
1-[[(1,5-Dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
CID 842644
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(4-methoxyphenyl)hydrazinecarbothioamide
CID 999055

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea (CID 842640) is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NNC(=O)c1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is BYWDKAUWVAWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-8-11(19(2)18-9)13(20)16-17-14(22)15-10-6-4-5-7-12(10)21-3/h4-8H,1-3H3,(H,16,20)(H2,15,17,22).
What are the key properties of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 319.39 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 842640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).